![CAS 1438401-13-8 N-(4-(tert-butyl)phenyl)dibenzo[b,d]furan-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1438401-13-8.gif)
CAS RN: 1438401-13-8
N-(4-(tert-butyl)phenyl)dibenzo[b,d]furan-4-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1438401-13-8
- Purity/Analytical Methods: >99.0%
1438401-13-8 / N-(4-tert-butylphenyl)dibenzofuran-4-amine
Basic Information
CAS
1438401-13-8
Multi CAS
No
Molecular Formula
C22H21NO
Molecular Weight
315.400000
Exact Mass
315.162314
SMILES
CC(C)(C)C1=CC=C(C=C1)NC2=CC=CC3=C2OC4=CC=CC=C34
InChI
InChI=1S/C22H21NO/c1-22(2,3)15-11-13-16(14-12-15)23-19-9-6-8-18-17-7-4-5-10-20(17)24-21(18)19/h4-14,23H,1-3H3
InChIKey
BEFIQNFPVBYFLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
102.14
TPSA
25.17
LogP / Solubility
WLOGP
6.63
MLOGP
5.85
XLogP3
6.9
Consensus LogP
6.46
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1438644-82-6 “2-[3-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-benzo[e]indol-2-ylidene]-propenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide, inner salt, sodium salt” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1438644-82-6.gif)
